Mrv1652307312018382D          

 17 16  0  0  1  0            999 V2000
   -5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1467    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4322    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5743    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2836    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8546    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0033    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7177    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1401    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2888    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4322    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5743    2.1434    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1401    1.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  2  1  0  0  0  0
 15  3  1  0  0  0  0
 15 12  1  0  0  0  0
 16  4  1  6  0  0  0
 16 13  1  0  0  0  0
 16 14  1  0  0  0  0
 16 17  1  1  0  0  0
M  END
> <DATABASE_ID>
CDB000246

> <DATABASE_NAME>
CDB

> <SMILES>
[H][C@@](C)(CCCCCCCC)CCCC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C16H34/c1-5-6-7-8-9-10-13-16(4)14-11-12-15(2)3/h15-16H,5-14H2,1-4H3/t16-/m1/s1

> <INCHI_KEY>
CHTMNBGVYWZUQQ-MRXNPFEDSA-N

> <FORMULA>
C16H34

> <MOLECULAR_WEIGHT>
226.448

> <EXACT_MASS>
226.266051095

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
32.50721953732835

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6R)-2,6-dimethyltetradecane

> <ALOGPS_LOGP>
8.45

> <JCHEM_LOGP>
7.261725405333334

> <ALOGPS_LOGS>
-7.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
75.31339999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.08e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6R)-2,6-dimethyltetradecane

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB000246

> <GENERIC_NAME>
2,6-Dimethyl-tetradecane

$$$$